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1039934-22-9

1039934-22-9 | 2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline

CAS No: 1039934-22-9 Catalog No: AG01AYGA MDL No:MFCD11194425

Product Description

Catalog Number:
AG01AYGA
Chemical Name:
2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline
CAS Number:
1039934-22-9
Molecular Formula:
C12H12INO
Molecular Weight:
313.1343
MDL Number:
MFCD11194425
IUPAC Name:
2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline
InChI:
InChI=1S/C12H12INO/c1-9-6-7-10(15-9)8-14-12-5-3-2-4-11(12)13/h2-7,14H,8H2,1H3
InChI Key:
ZIHVNZFJDJNATJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)CNc1ccccc1I

Properties

Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.996g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
313.138g/mol
Monoisotopic Mass:
312.996g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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